[(3S,4R)-3-(3-methoxy-3-oxidanylidene-propyl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-dimethyl-azanium

Systemtic Name: [(3S,4R)-3-(3-methoxy-3-oxidanylidene-propyl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-dimethyl-azanium Openeye Name: [(3S,4R)-3-(3-methoxy-3-oxo-propyl)-1-(o-tolylmethyl)piperidin-1-ium-4-yl]-dimethyl-ammonium CAS Name: [(3S,4R)-3-(3-methoxy-3-oxopropyl)-1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-dimethylammonium IUPAC Name: [(3S,4R)-3-(3-methoxy-3-oxopropyl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-dimethylazanium Traditional Name: [(3S,4R)-3-(3-keto-3-methoxy-propyl)-1-(2-methylbenzyl)piperidin-1-ium-4-yl]-dimethyl-ammonium Formula: C19H32N2O2+2 MolecularWeight: 320.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(C(C2)CCC(=O)OC)[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)[NH+](C)C

InChI

InChI=1S/C19H30N2O2/c1-15-7-5-6-8-16(15)13-21-12-11-18(20(2)3)17(14-21)9-10-19(22)23-4/h5-8,17-18H,9-14H2,1-4H3/p+2/t17-,18+/m0/s1